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23076-35-9

Basic Information
CAS No.: 23076-35-9
Name: 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 23076-35-9 (4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1))
Formula: C12H16N2S.HCl
Molecular Weight: 256.79
Synonyms: 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, monohydrochloride (9CI);4H-1,3-Thiazine,5,6-dihydro-2-(2,6-xylidino)-, monohydrochloride (8CI);5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine hydrochloride;BAY 1470hydrochloride;BAY-Va 1470;Celactal;Narcosyl;Rompun;Xylapan;Xylasol;Xylazine chloride;Xylazine hydrochloride;? Xylazine hydrochloride;
EINECS: 245-417-0
Density: 1.15g/cm3
Melting Point: 150-164?C (dec.)
Boiling Point: 334.2 °C at 760 mmHg
Flash Point: 155.9 °C
Solubility: Soluble in water
Appearance: N/A
Hazard Symbols: ToxicT
Risk Codes: 25-36/37/38
Safety: 26-36/37/39-45
Transport Information: N/A
PSA: 49.69000
LogP: 3.51880
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Specification

The 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1) is an organic compound with the formula C12H16N2S.HCl. The IUPAC name of this chemical is N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride. With the CAS registry number 23076-35-9, it is also named as 2-(2,6-Dimethylphenylamino)-4H-5,6-dihydro-1,3-thiazine hydrochloride . The product's classification codes are Analgesic; Drug / Therapeutic Agent; Human Data; Relaxant [muscle, veterinary].

Physical properties about 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1) are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 13.3; (6)ACD/KOC (pH 5.5): 7.74; (7)ACD/KOC (pH 7.4): 165.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.9 Å2; (12)Flash Point: 155.9 °C; (13)Enthalpy of Vaporization: 57.72 kJ/mol; (14)Boiling Point: 334.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00013 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N\1=C(\SCCC/1)Nc2c(cccc2C)C
(2)InChI: InChI=1/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
(3)InChIKey: QYEFBJRXKKSABU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
(5)Std. InChIKey: QYEFBJRXKKSABU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular 47mg/kg (47mg/kg)   Clinical Toxicology. Vol. 15, Pg. 281, 1979.
guinea pig LD50 intramuscular 10mg/kg (10mg/kg)   Veterinary and Human Toxicology. Vol. 24, Pg. 410, 1982.
man TDLo intramuscular 14mg/kg (14mg/kg) BEHAVIORAL: COMA

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Clinical Toxicology. Vol. 15, Pg. 281, 1979.
mouse LD50 intramuscular 109mg/kg (109mg/kg)   Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 9, Pg. 96, 1995.
mouse TDLo subcutaneous 29uL/kg (0.029mL/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Postgraduate Medical Journal. Vol. 66, Pg. 244, 1990.
rat LDLo oral 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: OTHER CHANGES
Journal of Toxicological Sciences. Vol. 25, Pg. 105, 2000.